0  B17R2.80838  CCC1(c2ccccc2)C(=O)NC=NC1=O Amb24100876 [0,0,0,0,0,0|0,0,2]=2
1  B18R2.188381  CCC1(C(=O)NC(=S)NC1=O)c2ccccc2 Amb17619324 [0,1,0,0,0,0|0,0,1]=2
2  B18R2.188381  CCC1(c2ccccc2)C(=O)NC(=O)NC1=O Amb22731700 [0,1,0,0,0,0|0,0,1]=2
3  B18R2.188381  CCC1(c2ccccc2)C(=O)NC(N)=NC1=O Amb22469530 [0,1,0,0,0,0|0,0,2]=3
4  B16R1.1705  CNCCNC(=O)C(CC)c1ccccc1 Amb24778733 [0,0,1,0,0,0|3,0,0]=4
5  B15R1.1215  CCC(C(=O)NCC#C)c1ccccc1 Amb19087958 [1,0,1,0,0,0|1,0,1]=4
6  B15R1.1215  CCC(C(=O)NCCN)c1ccccc1 Amb25388118 [1,0,1,0,0,0|1,0,1]=4
7  B15R1.3209  CCC(c1ccccc1)(C(O)=O)C(O)=O Amb18656044 [1,0,1,0,0,0|2,0,0]=4
8  B15R1.11657  COC(=O)C(c1ccccc1)(C(=O)O)C Amb17595564 [1,0,1,0,0,0|2,0,0]=4
9  B15R2.367  CC1(NCCNC1=O)c2ccccc2 Amb18947052 [2,0,0,0,0,0|2,0,0]=4
10  B15R2.541  O=C1NCNC(=O)C1c2ccccc2 Amb24342916 [2,0,0,0,0,0|0,0,0]=2
11  B17R1.3106  CO[C@H](c1ccccc1)C(=O)NCCC(O)=O Amb24955445 [0,1,1,0,0,0|2,0,0]=4
12  B17R1.3106  CSC(c1ccccc1)C(=O)NCCC(O)=O Amb24865965 [0,1,1,0,0,0|2,0,0]=4
13  B17R1.3106  NC(=O)CCNC(=O)C(CN)c1ccccc1 Amb25403774 [0,1,1,0,0,0|2,0,0]=4
14  B17R1.5080  CCC(C(=O)NCCNCC)c1ccccc1 Amb25403030 [0,1,1,0,0,0|1,0,1]=4
15  B17R2.23431  O=C1NC(=O)NC(=O)C1(C)c2ccccc2 Amb1934102 [1,1,0,0,0,0|0,0,1]=3
16  B17R2.23431  OC1(c2ccccc2)C(=O)NC(=O)NC1=O Amb22466466 [1,1,0,0,0,0|1,0,1]=4
17  B17R2.80254  CCC1(CNC(=O)NC1=O)c2ccccc2 Amb22451367 [1,1,0,0,0,0|0,0,2]=4
18  B19R2.323467  CCC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)O Amb17615680 [0,2,0,0,0,0|0,0,1]=3
19  B19R2.323467  CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O Amb22734560 [0,2,0,0,0,0|0,0,1]=3
20  B19R2.323446  CCC1(C(=O)NC(=O)N(C1=O)C)c2ccccc2 Amb2569594 [0,2,0,0,0,0|0,0,1]=3
21  B19R2.1081296  C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 Amb1934104 [0,2,0,0,0,0|0,0,2]=4
22  B19R2.1081296  O=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O Amb22462407 [0,2,0,0,0,0|0,0,2]=4
23  B19R3.2533334  O=C1N2CCC1(c3ccccc3)C(=O)NC2=O Amb22447217 [0,1,0,1,0,0|0,0,1]=3
24  B15R2.4088  CC1(c2ccccc2)C(=O)CNC1=O Amb25252889 [1,0,0,0,1,0|0,0,0]=2
25  B15R2.4088  CN1CNC(=O)C1(C)c2ccccc2 Amb25122824 [1,0,0,0,1,0|2,0,0]=4
26  B15R2.25515  CCC1(NC=NC1=O)c2ccccc2 Amb25164408 [1,0,0,0,1,0|0,0,2]=4
27  B15R2.25515  CCC1(SCNC1=O)c2ccccc2 Amb24347308 [1,0,0,0,1,0|1,0,0]=3
28  B15R2.25515  NCC1(CCNC1=O)c2ccccc2 Amb24733729 [1,0,0,0,1,0|1,0,1]=4